Geometry & MOs

Info

ID:	379524
PubChem CID:	134440022
Reduced:	FN7C21H22 (1)
Stoich.:	AB7C21D22 (1)
Weight, g/mol:	471.114127
ΔH_f, kcal/mol:	72.8
Dipole, Da:	2.46
IP(EA), eV:	-9.03(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-1-(cyclopropylmethyl)-5-(4-fluorophenyl)pyrazol-3-yl]-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(NN=C1NC2=CC(=NC=N2)N3C(=CC(=N3)C)C)C4=C(C=C(C=C4)F)C

DOS

IR

Vibrations